SCHEMBL4276111

SCHEMBL4276111

CN(C)CCCOc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
KLKB1 P03952 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4270150 0.96 F10 (0.50) F10KLKB1NPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL4272493 0.95 F10 (0.49) F10KLKB1NPC1RAB9ATSHR
SCHEMBL4270815 0.91 F10 (0.57) F10NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4270894 0.90 F10 (0.56) F10NPC1RAB9AKDM4E
SCHEMBL4269686 0.90 F10 (0.54) F10NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4277221 0.89 F10 (0.53) F10NPC1RAB9AKDM4E
SCHEMBL4277306 0.88 F10 (0.51) F10NPC1RAB9AKDM4E
SCHEMBL4274122 0.86 F10 (0.47) F10NPC1RAB9AKDM4E
SCHEMBL4277208 0.85 F10 (0.46) F10NPC1RAB9AKDM4E
SCHEMBL4274332 0.85 TRPV4 (0.51) F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP disclosed
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 F10 16/4885KLKB1 310/4885NPC1 1622/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.